Geometry & MOs

Info

ID:	68422
PubChem CID:	46508378
Reduced:	OCl2F3N4C20H21 (1)
Stoich.:	AB2C3D4E20F21 (1)
Weight, g/mol:	323.17644
ΔH_f, kcal/mol:	-173.56
Dipole, Da:	6.26
IP(EA), eV:	-9.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorophenyl)-N-hexylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)NCCC2=CC(=CC=C2)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations